CID 508478

Schembl7082077

Structural Information

Molecular Formula
C17H17N5O
SMILES
CC1=NC(=C(C=C1)C(=O)NC2CC2)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C17H17N5O/c1-10-2-7-14(17(23)21-12-5-6-12)16(19-10)20-13-4-3-11-9-18-22-15(11)8-13/h2-4,7-9,12H,5-6H2,1H3,(H,18,22)(H,19,20)(H,21,23)
InChIKey
HDHVBBYNUKLMMD-UHFFFAOYSA-N
Compound name
N-cyclopropyl-2-(1H-indazol-6-ylamino)-6-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.1433 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15058 171.7
[M+Na]+ 330.13252 181.8
[M-H]- 306.13602 178.4
[M+NH4]+ 325.17712 179.5
[M+K]+ 346.10646 173.7
[M+H-H2O]+ 290.14056 162.7
[M+HCOO]- 352.14150 193.8
[M+CH3COO]- 366.15715 181.9
[M+Na-2H]- 328.11797 177.2
[M]+ 307.14275 173.5
[M]- 307.14385 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe